methyl (1S,3R,3aS,6aR)-1-(4-cyclohexylsulfanyl-3-methoxy-phenyl)-5-methyl-4,6-bis(oxidanylidene)-3-(phenylmethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate

Systemtic Name: methyl (1S,3R,3aS,6aR)-1-(4-cyclohexylsulfanyl-3-methoxy-phenyl)-5-methyl-4,6-bis(oxidanylidene)-3-(phenylmethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate Openeye Name: methyl (1S,3R,3aS,6aR)-3-benzyl-1-(4-cyclohexylsulfanyl-3-methoxy-phenyl)-5-methyl-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate CAS Name: (1S,3R,3aS,6aR)-1-[4-(cyclohexylthio)-3-methoxyphenyl]-5-methyl-4,6-dioxo-3-(phenylmethyl)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl (1S,3R,3aS,6aR)-3-benzyl-1-(4-cyclohexylsulfanyl-3-methoxyphenyl)-5-methyl-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate Traditional Name: (1S,3R,3aS,6aR)-3-benzyl-1-[4-(cyclohexylthio)-3-methoxy-phenyl]-4,6-diketo-5-methyl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid methyl ester Formula: C29H34N2O5S MolecularWeight: 522.65566

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2C(C1=O)C(NC2C3=CC(=C(C=C3)SC4CCCCC4)OC)(CC5=CC=CC=C5)C(=O)OC

Isomeric SMILES

CN1C(=O)[C@@H]2[C@H](C1=O)[C@](N[C@@H]2C3=CC(=C(C=C3)SC4CCCCC4)OC)(CC5=CC=CC=C5)C(=O)OC

InChI

InChI=1S/C29H34N2O5S/c1-31-26(32)23-24(27(31)33)29(28(34)36-3,17-18-10-6-4-7-11-18)30-25(23)19-14-15-22(21(16-19)35-2)37-20-12-8-5-9-13-20/h4,6-7,10-11,14-16,20,23-25,30H,5,8-9,12-13,17H2,1-3H3/t23-,24-,25-,29-/m1/s1